3DQZ

Structure of the hydroxynitrile lyase from Arabidopsis thaliana

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	100
Detector technology	CCD
Collection date	2007-06-15
Detector	MAR CCD 165 mm
Wavelength(s)	0.8081
Spacegroup name	P 1 21 1
Unit cell lengths	50.248, 223.313, 50.201
Unit cell angles	90.00, 101.47, 90.00

Refinement procedure

Resolution	24.171 - 2.504
Rwork	0.159
R-free	0.21000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qj4 1dwp 1xkl
RMSD bond length	0.006
RMSD bond angle	0.899
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.560
High resolution limit [Å]	2.500	2.500
Number of reflections	33151
<I/σ(I)>	18.9	4.8
Completeness [%]	89.6	87.5
Redundancy	3.4	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	10-18% PEG3350, 100mM BisTris, pH6.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K